N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]propane-1-sulfonamide

C13H20N2O4S2 — CID 113094750

IUPACN-cyclopropyl-N-[4-(methanesulfonamido)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(c1ccc(NS(C)(=O)=O)cc1)C1CC1
InChIInChI=1S/C13H20N2O4S2/c1-3-10-21(18,19)15(13-8-9-13)12-6-4-11(5-7-12)14-20(2,16)17/h4-7,13-14H,3,8-10H2,1-2H3
InChIKeyDJWNYUHYHZRBHX-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.77
Rot. Bonds7

About N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]propane-1-sulfonamide

N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]propane-1-sulfonamide (PubChem CID 113094750) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-(methanesulfonamido)phenyl]propane-1-sulfonamide
PubChem CID113094750
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC NameN-cyclopropyl-N-[4-(methanesulfonamido)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(c1ccc(NS(C)(=O)=O)cc1)C1CC1
InChIInChI=1S/C13H20N2O4S2/c1-3-10-21(18,19)15(13-8-9-13)12-6-4-11(5-7-12)14-20(2,16)17/h4-7,13-14H,3,8-10H2,1-2H3
InChIKeyDJWNYUHYHZRBHX-UHFFFAOYSA-N
XLogP1.77
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 113094753
N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
CID 113094754
N-cyclopropyl-4-fluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 113094755
N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-3-methylbenzenesulfonamide
CID 113094765
N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide
CID 113094770
N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride
CID 45050507
4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide
CID 113094726
2-[cyclopropyl-[4-(methanesulfonamido)benzoyl]amino]acetic acid
CID 60826728
N-[4-(N-phenylanilino)phenyl]methanesulfonamide
CID 20654643
N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]oxolane-2-carboxamide
CID 113094693
N-[4-(methanesulfonamido)phenyl]-N-methylcyclohexanecarboxamide
CID 113094578
N-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide
CID 113094703

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]propane-1-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]propane-1-sulfonamide (CID 113094750) is N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)N(c1ccc(NS(C)(=O)=O)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]propane-1-sulfonamide?
The InChIKey is DJWNYUHYHZRBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-3-10-21(18,19)15(13-8-9-13)12-6-4-11(5-7-12)14-20(2,16)17/h4-7,13-14H,3,8-10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]propane-1-sulfonamide?
N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]propane-1-sulfonamide has a molecular weight of 332.45 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 113094750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).